7BO0
Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria in complex with alpha-angelica lactone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-15 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.820, 76.690, 86.930 |
| Unit cell angles | 90.00, 92.97, 90.00 |
Refinement procedure
| Resolution | 56.740 - 1.630 |
| R-factor | 0.238 |
| Rwork | 0.237 |
| R-free | 0.26190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s0g |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.176 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.740 | 1.689 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.042 | 0.312 |
| Number of reflections | 154172 | 17504 |
| <I/σ(I)> | 12.22 | |
| Completeness [%] | 89.1 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.995 | 0.813 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M MgCl2 hexahydrate or 0.2 M CaCl2 dihydrate, 0.1 M MES pH 6.0, 20 % w/v PEG 6000 |
